CID 3068499

Benzene, 2-(4-bromophenoxy)-4-((2-(4-ethoxyphenyl)-2-methylprpoxy)methyl)-1-fluoro-

Structural Information

Molecular Formula
C25H26BrFO3
SMILES
CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C25H26BrFO3/c1-4-29-21-10-6-19(7-11-21)25(2,3)17-28-16-18-5-14-23(27)24(15-18)30-22-12-8-20(26)9-13-22/h5-15H,4,16-17H2,1-3H3
InChIKey
ZEEGKOJRDIONKV-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

472.10495 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.11223 211.0
[M+Na]+ 495.09417 219.9
[M-H]- 471.09767 221.0
[M+NH4]+ 490.13877 222.8
[M+K]+ 511.06811 207.7
[M+H-H2O]+ 455.10221 206.7
[M+HCOO]- 517.10315 227.9
[M+CH3COO]- 531.11880 231.2
[M+Na-2H]- 493.07962 213.0
[M]+ 472.10440 233.2
[M]- 472.10550 233.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe